4-tert-Butylcyclohexanol

CAS NO.：98-52-2
Empirical Formula: C10H20O
Molecular Weight: 156.27
MDL number: MFCD00001473
EINECS: 202-676-4
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-11 17:44:06

What is 4-tert-Butylcyclohexanol?

Chemical properties

white powder or granules

Occurrence

Has apparently not been reported to occur in nature.

The Uses of 4-tert-Butylcyclohexanol

4-tert-Butylcyclohexanol (mixture of cis and trans) can be used as a reactant to synthesize tris(4,4′-di-tert-butyl-2,2′-bipyridine)(trans-4-tert-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium oxide cluster complex by reacting with [V₈O₂₀(C₁₈H₂₄N₂)₄]. It can also be used as a reactant in competitive Oppenauer oxidation experiments in the presence of zeolite BEA as a stereoselective catalyst. Only cis-isomer is selectively converted to the corresponding ketone, whereas trans-isomer remains unchanged.

Preparation

From 4-terf-butylphenol by hydrogenation(Arctander, 1969).

Synthesis Reference(s)

The Journal of Organic Chemistry, 45, p. 2724, 1980 DOI: 10.1021/jo01301a040
Synthesis, p. 171, 1977 DOI: 10.1055/s-1977-24307

Properties of 4-tert-Butylcyclohexanol

Melting point:	62-70 °C(lit.)
Boiling point:	110-115 °C15 mm Hg(lit.)
Density	2.591
vapor pressure	6-201.38Pa at 25-65℃
refractive index	1.447
Flash point:	221 °F
storage temp.	Sealed in dry,Room Temperature
solubility	soluble in Methanol
form	Powder or Granules
pka	15.32±0.40(Predicted)
color	White
Odor	at 100.00 %. woody musty patchouli camphor mint leather
Water Solubility	<1 g/L (20 ºC)
BRN	1902277
CAS DataBase Reference	98-52-2(CAS DataBase Reference)
NIST Chemistry Reference	Cyclohexanol, 4-(1,1-dimethylethyl)-(98-52-2)
EPA Substance Registry System	Cyclohexanol, 4-(1,1-dimethylethyl)- (98-52-2)